Geometry & MOs

Info

ID:	277214
PubChem CID:	103827335
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	4.17
IP(EA), eV:	-8.46(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-ethylphenyl)methylamino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations